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CS-W001157 4
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3-methoxy-5-(methoxycarbonyl)benzoic acid

  • CAS No. 71590-08-4

  • Cat. No. CS-0097862
  • Purity≥95%
  • MDL No.MFCD03840746

*For research and further manufacturing use only, not for direct human use.

3-methoxy-5-(methoxycarbonyl)benzoic acid|CS-0097862

Structure of 71590-08-4

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General Information

  • CAS No. 71590-08-4
  • Cat. No. CS-0097862
  • Purity ≥95%
  • MDL No. MFCD03840746
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₅
  • Molecular Weight 210.18
  • Synonym(s) METHYL 5-METHOXY-ISOPHTHALATE
  • SMILES O=C(C1=CC(OC)=CC(C(O)=O)=C1)OC

Synthesis

  • Route1

    References

    • Fretz, Samuel J.; Hadad, Christopher M.; Hart, David J.; Vyas, Shubham; Yang, Dexi Journal of Organic Chemistry, 2013 , vol. 78, # 1 p. 83 - 92
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 45, # 19 p. 4188 - 4201
  • Route3

    References

    • Synthetic Communications, , vol. 31, # 12 p. 1921 - 1926

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   1.18
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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